CID 89050893

C14H6BF8 — CID 89050893

IUPAC—
SMILESCc1c(C)c(F)c([B]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H6BF8/c1-3-4(2)8(17)9(18)5(7(3)16)15-6-10(19)12(21)14(23)13(22)11(6)20/h1-2H3
InChIKeyAKORGNYHKUIKAX-UHFFFAOYSA-N
MW337.00 g/mol
LogP3.07
Rot. Bonds2

About CID 89050893

CID 89050893 (PubChem CID 89050893) has the molecular formula C14H6BF8 and a molecular weight of 337.00 g/mol.

Molecular Properties

Compound NameCID 89050893
PubChem CID89050893
Molecular FormulaC14H6BF8
Molecular Weight337.00 g/mol
Exact Mass337.04
IUPAC Name—
SMILESCc1c(C)c(F)c([B]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H6BF8/c1-3-4(2)8(17)9(18)5(7(3)16)15-6-10(19)12(21)14(23)13(22)11(6)20/h1-2H3
InChIKeyAKORGNYHKUIKAX-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 89050893 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89050893?
The IUPAC name of CID 89050893 (CID 89050893) is not available.
What is the SMILES notation for CID 89050893?
The canonical SMILES for CID 89050893 is Cc1c(C)c(F)c([B]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of CID 89050893?
The InChIKey is AKORGNYHKUIKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BF8/c1-3-4(2)8(17)9(18)5(7(3)16)15-6-10(19)12(21)14(23)13(22)11(6)20/h1-2H3.
What are the key properties of CID 89050893?
CID 89050893 has a molecular weight of 337.00 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89050893 is sourced from PubChem (CID 89050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).